3-butyl-7-cyclopentyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-cyclopentyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-cyclopentyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione CAS Name: 3-butyl-7-cyclopentyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-cyclopentyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-cyclopentyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]xanthine Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=NN=C(O3)C4=CC=CC=C4)N(C=N2)C5CCCC5

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=NN=C(O3)C4=CC=CC=C4)N(C=N2)C5CCCC5

InChI

InChI=1S/C23H26N6O3/c1-2-3-13-27-20-19(29(15-24-20)17-11-7-8-12-17)22(30)28(23(27)31)14-18-25-26-21(32-18)16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3